(E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]-1-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H22N2O3S/c1-29-20-11-9-18(10-12-20)23(28)13-7-17-8-14-24(30-2)19(15-17)16-31-25-26-21-5-3-4-6-22(21)27-25/h3-15H,16H2,1-2H3,(H,26,27)/b13-7+